2R55
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 2r55 by Molmil](/molmil-images/mine/2r55) | Human StAR-related lipid transfer protein 5 | Descriptor: | StAR-related lipid transfer protein 5 | Authors: | Lehtio, L, Busam, R.D, Arrowsmith, C.H, Berglund, H, Collins, R, Dahlgren, L.G, Edwards, A.M, Flodin, S, Flores, A, Graslund, S, Hammarstrom, M, Hallberg, B.M, Herman, M.D, Johansson, I, Kallas, A, Karlberg, T, Kotenyova, T, Moche, M, Nordlund, P, Nyman, T, Sagemark, J, Sundstrom, M, Thorsell, A.G, Tresaugues, L, Van Den Berg, S, Weigelt, J, Welin, M, Persson, C, Structural Genomics Consortium (SGC) | Deposit date: | 2007-09-03 | Release date: | 2007-09-18 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Comparative structural analysis of lipid binding START domains. Plos One, 6, 2011
|
|
2R75
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 2r75 by Molmil](/molmil-images/mine/2r75) | Aquifex aeolicus FtsZ with 8-morpholino-GTP | Descriptor: | 8-morpholin-4-ylguanosine 5'-(tetrahydrogen triphosphate), Cell division protein ftsZ, MAGNESIUM ION | Authors: | Lappchen, T, Pinas, V.A, Hartog, A.F, Koomen, G.J, Schaffner-Barbero, C, Andreu, J.M, Trambaiolo, D, Lowe, J, Juhem, A, Popov, A.V, den Blaauwen, T. | Deposit date: | 2007-09-07 | Release date: | 2008-07-22 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (1.402 Å) | Cite: | Probing FtsZ and tubulin with C8-substituted GTP analogs reveals differences in their nucleotide binding sites Chem.Biol., 15, 2008
|
|
1E8B
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 1e8b by Molmil](/molmil-images/mine/1e8b) | Solution structure of 6F11F22F2, a compact three-module fragment of the gelatin-binding domain of human fibronectin | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, FIBRONECTIN | Authors: | Pickford, A.R, Smith, S.P, Staunton, D, Boyd, J, Campbell, I.D. | Deposit date: | 2000-09-18 | Release date: | 2000-10-15 | Last modified: | 2020-07-29 | Method: | SOLUTION NMR | Cite: | The Hairpin Structure of the (6)F1(1)F2(2)F2 Fragment from Human Fibronectin Enhances Gelatin Binding Embo J., 20, 2001
|
|
2R56
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 2r56 by Molmil](/molmil-images/mine/2r56) | Crystal Structure of a Recombinant IgE Fab Fragment in Complex with Bovine Beta-Lactoglobulin Allergen | Descriptor: | Beta-lactoglobulin, DODECYL-BETA-D-MALTOSIDE, IgE Fab Fragment, ... | Authors: | Niemi, M, Kallio, J.M, Hakulinen, N, Rouvinen, J. | Deposit date: | 2007-09-03 | Release date: | 2007-11-13 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Molecular interactions between a recombinant IgE antibody and the beta-lactoglobulin allergen. Structure, 15, 2007
|
|
2R9U
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 2r9u by Molmil](/molmil-images/mine/2r9u) | |
5K6P
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5k6p by Molmil](/molmil-images/mine/5k6p) | The NMR structure of the m domain tri-helix bundle and C2 of human cardiac Myosin Binding Protein C | Descriptor: | Myosin-binding protein C, cardiac-type | Authors: | Michie, K.A, Kwan, A.H, Tung, C.S, Guss, J.M, Trewhella, J. | Deposit date: | 2016-05-25 | Release date: | 2016-11-09 | Last modified: | 2024-05-15 | Method: | SOLUTION NMR | Cite: | A Highly Conserved Yet Flexible Linker Is Part of a Polymorphic Protein-Binding Domain in Myosin-Binding Protein C. Structure, 24, 2016
|
|
2R68
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 2r68 by Molmil](/molmil-images/mine/2r68) | |
6OLT
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6olt by Molmil](/molmil-images/mine/6olt) | Crosslinked Crystal Structure of Type II Fatty Acid Synthase Ketosynthase, FabF, and C12-crypto Acyl Carrier Protein, AcpP | Descriptor: | 3-oxoacyl-[acyl-carrier-protein] synthase 2, Acyl carrier protein, N-[2-(dodecanoylamino)ethyl]-N~3~-[(2R)-2-hydroxy-3,3-dimethyl-4-(phosphonooxy)butanoyl]-beta-alaninamide | Authors: | Mindrebo, J.T, Kim, W.E, Bartholow, T.G, Chen, A, Davis, T.D, La Clair, J, Burkart, M.D, Noel, J.P. | Deposit date: | 2019-04-17 | Release date: | 2020-04-22 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.35 Å) | Cite: | Gating mechanism of elongating beta-ketoacyl-ACP synthases. Nat Commun, 11, 2020
|
|
5JPW
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5jpw by Molmil](/molmil-images/mine/5jpw) | Molecular basis for protein recognition specificity of the DYNLT1/Tctex1 canonical binding groove. Characterization of the interaction with activin receptor IIB | Descriptor: | Dynein light chain Tctex-type 1,Cytoplasmic dynein 1 intermediate chain 2 | Authors: | Rodriguez-Crespo, I, Merino-Gracia, J, Bruix, M, Zamora-Carreras, H. | Deposit date: | 2016-05-04 | Release date: | 2016-08-17 | Last modified: | 2024-07-03 | Method: | SOLUTION NMR | Cite: | Molecular Basis for the Protein Recognition Specificity of the Dynein Light Chain DYNLT1/Tctex1: CHARACTERIZATION OF THE INTERACTION WITH ACTIVIN RECEPTOR IIB. J.Biol.Chem., 291, 2016
|
|
6I6T
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6i6t by Molmil](/molmil-images/mine/6i6t) | SEPIAPTERIN REDUCTASE IN COMPLEX WITH COMPOUND 5 | Descriptor: | 1,2-ETHANEDIOL, 4-bromanyl-1-oxidanyl-naphthalene-2-carboxylic acid, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ... | Authors: | Alen, J, Schade, M, Wagener, M, Blaesse, M. | Deposit date: | 2018-11-15 | Release date: | 2019-07-10 | Last modified: | 2024-05-15 | Method: | X-RAY DIFFRACTION (1.79 Å) | Cite: | Fragment-Based Discovery of Novel Potent Sepiapterin Reductase Inhibitors. J.Med.Chem., 62, 2019
|
|
2RBE
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 2rbe by Molmil](/molmil-images/mine/2rbe) | The discovery of 2-anilinothiazolones as 11beta-HSD1 inhibitors | Descriptor: | (5R)-2-[(2-fluorophenyl)amino]-5-(1-methylethyl)-1,3-thiazol-4(5H)-one, Corticosteroid 11-beta-dehydrogenase isozyme 1, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE | Authors: | Zhang, J, Jordan, S.R, Li, V. | Deposit date: | 2007-09-18 | Release date: | 2008-01-15 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | The discovery of 2-anilinothiazolones as 11beta-HSD1 inhibitors. Bioorg.Med.Chem.Lett., 17, 2007
|
|
1E99
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 1e99 by Molmil](/molmil-images/mine/1e99) | Human thymidylate kinase complexed with AZTMP and ADP | Descriptor: | 3'-AZIDO-3'-DEOXYTHYMIDINE-5'-MONOPHOSPHATE, ADENOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, ... | Authors: | Ostermann, N, Lavie, A, Padiyar, S, Brundiers, R, Veit, T, Reinstein, J, Goody, R.S, Konrad, M, Schlichting, I. | Deposit date: | 2000-10-10 | Release date: | 2001-10-05 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Potentiating Azt Activation: Structures of Wildtype and Mutant Human Thymidylate Kinase Suggest Reasons for the Mutants' Improved Kinetics with the HIV Prodrug Metabolite Aztmp J.Mol.Biol., 304, 2000
|
|
6I7X
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6i7x by Molmil](/molmil-images/mine/6i7x) | Crystal Structure of the first bromodomain of BRD4 in complex with RT53 | Descriptor: | 1,2-ETHANEDIOL, 2-[(4~{S})-6-(4-chlorophenyl)-8-methoxy-1-methyl-4~{H}-[1,2,4]triazolo[4,3-a][1,4]benzodiazepin-4-yl]-1-[4-(dimethylamino)piperidin-1-yl]ethanone, Bromodomain-containing protein 4 | Authors: | Picaud, S, Traquete, R, Bernardes, G.J.L, Newman, J, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Filippakopoulos, P, Structural Genomics Consortium (SGC) | Deposit date: | 2018-11-19 | Release date: | 2019-11-27 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.2 Å) | Cite: | Crystal Structure of the first bromodomain of BRD4 in complex with RT53 To Be Published
|
|
6I81
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6i81 by Molmil](/molmil-images/mine/6i81) | Crystal Structure of the second bromodomain of BRD2 in complex with RT56 | Descriptor: | 1,2-ETHANEDIOL, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, Bromodomain-containing protein 2, ... | Authors: | Picaud, S, Traquete, R, Bernardes, G.J.L, Newman, J, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Filippakopoulos, P, Structural Genomics Consortium (SGC) | Deposit date: | 2018-11-19 | Release date: | 2019-11-27 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.74 Å) | Cite: | Crystal Structure of the second bromodomain of BRD2 in complex with RT56 To Be Published
|
|
5KK8
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5kk8 by Molmil](/molmil-images/mine/5kk8) | Crystal structure of Nucleoside Diphosphate Kinase from Schistosoma mansoni in complex with ADP | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, Nucleoside diphosphate kinase | Authors: | Torini, J.R.S, Romanello, L, Bird, L.E, Nettleship, J.E, Owens, R.J, Aller, P, DeMarco, R, Brandao-Neto, J, Pereira, H.M. | Deposit date: | 2016-06-21 | Release date: | 2017-06-21 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2.11 Å) | Cite: | Characterization of a Schistosoma mansoni NDPK expressed in sexual and digestive organs. Mol.Biochem.Parasitol., 2019
|
|
2R9F
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 2r9f by Molmil](/molmil-images/mine/2r9f) | Calpain 1 proteolytic core inactivated by ZLAK-3002, an alpha-ketoamide | Descriptor: | CALCIUM ION, CHLORIDE ION, Calpain-1 catalytic subunit, ... | Authors: | Qian, J, Campbell, R.L, Davies, P.L. | Deposit date: | 2007-09-12 | Release date: | 2008-08-26 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Cocrystal structures of primed side-extending alpha-ketoamide inhibitors reveal novel calpain-inhibitor aromatic interactions. J.Med.Chem., 51, 2008
|
|
2R9O
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 2r9o by Molmil](/molmil-images/mine/2r9o) | Cathepsin S complexed with Compound 8 | Descriptor: | Cathepsin S, N-[(1S)-2-{[(1R)-2-(benzyloxy)-1-cyano-1-methylethyl]amino}-1-(cyclohexylmethyl)-2-oxoethyl]morpholine-4-carboxamide | Authors: | Ward, Y.D, Emmanuel, M.J, Thomson, D.S, Liu, W, Bekkali, Y, Frye, L.L, Girardot, M, Morwick, T, Young, E.R.R, Zindell, R, Hrapchak, M, DeTuri, M, White, A, Crane, K.M, White, D.M, Wang, Y, Hao, M.-H, Grygon, C.A, Labadia, M.E, Wildeson, J, Freeman, D, Nelson, R, Capolino, A, Peterson, J.D, Raymond, E.L, Brown, M.L, Spero, D.M. | Deposit date: | 2007-09-13 | Release date: | 2007-12-18 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Design and Synthesis of Reversible Inhibitors of Cathepsin S: alpha,alpha-Disubstitution at the P1 Residue Provides Potent Inhibitors in Cellular Assays and In Vivo Models of Antigen Presentation to be published
|
|
2RFM
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 2rfm by Molmil](/molmil-images/mine/2rfm) | Structure of a Thermophilic Ankyrin Repeat Protein | Descriptor: | 1,3-BUTANEDIOL, CHLORIDE ION, GLYCEROL, ... | Authors: | Loew, C, Weininger, U, Neumann, P, Stubbs, M.T, Balbach, J. | Deposit date: | 2007-10-01 | Release date: | 2008-03-11 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (1.65 Å) | Cite: | Structural insights into an equilibrium folding intermediate of an archaeal ankyrin repeat protein Proc.Natl.Acad.Sci.Usa, 105, 2008
|
|
2RAB
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 2rab by Molmil](/molmil-images/mine/2rab) | Structure of glutathione amide reductase from Chromatium gracile in complex with NAD | Descriptor: | CHLORIDE ION, FLAVIN-ADENINE DINUCLEOTIDE, NICKEL (II) ION, ... | Authors: | Van Petegem, F, De Vos, D, Savvides, S, Vergauwen, B, Van Beeumen, J. | Deposit date: | 2007-09-14 | Release date: | 2008-02-19 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Understanding nicotinamide dinucleotide cofactor and substrate specificity in class I flavoprotein disulfide oxidoreductases: crystallographic analysis of a glutathione amide reductase. J.Mol.Biol., 374, 2007
|
|
6IAX
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6iax by Molmil](/molmil-images/mine/6iax) | MloK1 model from single particle analysis of 2D crystals, class 1 (extended conformation) | Descriptor: | Cyclic nucleotide-gated potassium channel mll3241, POTASSIUM ION | Authors: | Righetto, R, Biyani, N, Kowal, J, Chami, M, Stahlberg, H. | Deposit date: | 2018-11-27 | Release date: | 2019-04-24 | Last modified: | 2024-05-15 | Method: | ELECTRON MICROSCOPY (5.2 Å) | Cite: | Retrieving high-resolution information from disordered 2D crystals by single-particle cryo-EM. Nat Commun, 10, 2019
|
|
6IM7
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6im7 by Molmil](/molmil-images/mine/6im7) | CueO-12.1 multicopper oxidase | Descriptor: | Blue copper oxidase CueO,12.1 peptide,Blue copper oxidase CueO, CALCIUM ION | Authors: | Wongsantichon, J, Robinson, R, Ghadessy, F. | Deposit date: | 2018-10-22 | Release date: | 2019-03-20 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (1.97 Å) | Cite: | Development and structural characterization of an engineered multi-copper oxidase reporter of protein-protein interactions. J.Biol.Chem., 294, 2019
|
|
6IC6
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6ic6 by Molmil](/molmil-images/mine/6ic6) | Human cathepsin-C in complex with cyclopropyl peptidyl nitrile inhibitor 1 | Descriptor: | (2~{S})-~{N}-[(1~{R},2~{R})-1-(aminomethyl)-2-[4-[4-(trifluoromethyl)phenyl]phenyl]cyclopropyl]-2-azanyl-butanamide, 2-acetamido-2-deoxy-beta-D-glucopyranose, CHLORIDE ION, ... | Authors: | Hakansson, M, Logan, D.T, Korkmaz, B, Lesner, A, Wysocka, M, Gieldon, A, Gauthier, F, Jenne, D, Lauritzen, C, Pedersen, J. | Deposit date: | 2018-12-02 | Release date: | 2019-04-24 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (1.898 Å) | Cite: | Structure-based design and in vivo anti-arthritic activity evaluation of a potent dipeptidyl cyclopropyl nitrile inhibitor of cathepsin C. Biochem. Pharmacol., 164, 2019
|
|
6IMH
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6imh by Molmil](/molmil-images/mine/6imh) | Solution Structure of Bicyclic Peptide pb-18 | Descriptor: | (ACE)-GLY-CYS-PRO-CYS-GLU-PRO-SER-TYR-LEU-CYS-PRO-TRP-LEU-PRO-GLY-CYS-(NH2) | Authors: | Yao, H, Lin, P, Zha, J, Zha, M, Zhao, Y, Wu, C. | Deposit date: | 2018-10-22 | Release date: | 2019-08-28 | Method: | SOLUTION NMR | Cite: | Ordered and Isomerically Stable Bicyclic Peptide Scaffolds Constrained through Cystine Bridges and Proline Turns. Chembiochem, 20, 2019
|
|
1IKV
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 1ikv by Molmil](/molmil-images/mine/1ikv) | K103N Mutant HIV-1 Reverse Transcriptase in Complex with Efivarenz | Descriptor: | (-)-6-CHLORO-4-CYCLOPROPYLETHYNYL-4-TRIFLUOROMETHYL-1,4-DIHYDRO-2H-3,1-BENZOXAZIN-2-ONE, POL POLYPROTEIN | Authors: | Lindberg, J, Unge, T. | Deposit date: | 2001-05-07 | Release date: | 2001-06-06 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (3 Å) | Cite: | Structural basis for the inhibitory efficacy of efavirenz (DMP-266), MSC194 and PNU142721 towards the HIV-1 RT K103N mutant. Eur.J.Biochem., 269, 2002
|
|
6IDL
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6idl by Molmil](/molmil-images/mine/6idl) | Cryo-EM structure of Immature Dengue virus serotype 3 in complex with human antibody 1H10 Fab at pH 5.0 (Class II particle) | Descriptor: | Envelope protein, Fab 1H10 heavy chain (V-region), Fab 1H10 light chain (V-region), ... | Authors: | Wirawan, M, Fibriansah, G, Ng, T.S, Zhang, Q, Kostyuchenko, V.A, Shi, J, Lok, S.M. | Deposit date: | 2018-09-10 | Release date: | 2018-12-12 | Last modified: | 2024-03-27 | Method: | ELECTRON MICROSCOPY (25 Å) | Cite: | Mechanism of Enhanced Immature Dengue Virus Attachment to Endosomal Membrane Induced by prM Antibody. Structure, 27, 2019
|
|